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Title: Materials Data on NaTiO2 by Materials Project

Abstract

NaTiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent TiO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.39 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ti–O bond lengths are 2.09 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ti3+ atoms to form a mixture of edge and corner-sharing ONa3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7002
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaTiO2; Na-O-Ti
OSTI Identifier:
1285574
DOI:
10.17188/1285574

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaTiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285574.
Persson, Kristin, & Project, Materials. Materials Data on NaTiO2 by Materials Project. United States. doi:10.17188/1285574.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaTiO2 by Materials Project". United States. doi:10.17188/1285574. https://www.osti.gov/servlets/purl/1285574. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285574,
title = {Materials Data on NaTiO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaTiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent TiO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.39 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ti–O bond lengths are 2.09 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ti3+ atoms to form a mixture of edge and corner-sharing ONa3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1285574},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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